2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

C26H26N4O2 — CID 4970681

IUPAC2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccccc1OC
InChIInChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(19-10-6-7-11-21(19)31-3)20-13-12-17-8-4-5-9-18(17)24(20)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-
InChIKeyCSKLCXHKHIKWDL-RFBIWTDZSA-N
MW426.52 g/mol
LogP4.37
Rot. Bonds5

About 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (PubChem CID 4970681) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
PubChem CID4970681
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccccc1OC
InChIInChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(19-10-6-7-11-21(19)31-3)20-13-12-17-8-4-5-9-18(17)24(20)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-
InChIKeyCSKLCXHKHIKWDL-RFBIWTDZSA-N
XLogP4.37
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (CID 4970681) is 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is [H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccccc1OC.
What is the InChIKey of 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The InChIKey is CSKLCXHKHIKWDL-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(19-10-6-7-11-21(19)31-3)20-13-12-17-8-4-5-9-18(17)24(20)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-.
What are the key properties of 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine has a molecular weight of 426.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-imino-11-(2-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 4970681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).